9-butyl-8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-2-fluoranyl-purin-6-amine

Systemtic Name: 9-butyl-8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-2-fluoranyl-purin-6-amine Openeye Name: 9-butyl-8-(2-chloro-3,4,5-trimethoxy-phenyl)sulfanyl-2-fluoro-purin-6-amine CAS Name: 9-butyl-8-[(2-chloro-3,4,5-trimethoxyphenyl)thio]-2-fluoro-6-purinamine IUPAC Name: 9-butyl-8-(2-chloro-3,4,5-trimethoxyphenyl)sulfanyl-2-fluoropurin-6-amine Traditional Name: [9-butyl-8-[(2-chloro-3,4,5-trimethoxy-phenyl)thio]-2-fluoro-purin-6-yl]amine Formula: C18H21ClFN5O3S MolecularWeight: 441.907443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC(=N2)F)N)N=C1SC3=C(C(=C(C(=C3)OC)OC)OC)Cl

Isomeric SMILES

CCCCN1C2=C(C(=NC(=N2)F)N)N=C1SC3=C(C(=C(C(=C3)OC)OC)OC)Cl

InChI

InChI=1S/C18H21ClFN5O3S/c1-5-6-7-25-16-12(15(21)23-17(20)24-16)22-18(25)29-10-8-9(26-2)13(27-3)14(28-4)11(10)19/h8H,5-7H2,1-4H3,(H2,21,23,24)